Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020000
Common NameAndrostrane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
PubChem CID-
CHEBI ID35509
InChIKeyQZLYKIGBANMMBK-FZFXZXLVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
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SMILES
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H])[H]
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
287.82Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.81Molar
Refractivity
80.96